3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol

C12H20N2O — CID 115811630

IUPAC3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
SMILESCc1cc(CC(O)C(C)C2CC2)n(C)n1
InChIInChI=1S/C12H20N2O/c1-8-6-11(14(3)13-8)7-12(15)9(2)10-4-5-10/h6,9-10,12,15H,4-5,7H2,1-3H3
InChIKeyCQADYLIWKPDLTF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.68
Rot. Bonds4

About 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol

3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol (PubChem CID 115811630) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
PubChem CID115811630
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
SMILESCc1cc(CC(O)C(C)C2CC2)n(C)n1
InChIInChI=1S/C12H20N2O/c1-8-6-11(14(3)13-8)7-12(15)9(2)10-4-5-10/h6,9-10,12,15H,4-5,7H2,1-3H3
InChIKeyCQADYLIWKPDLTF-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105158662
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
CID 103457452
1-(2-adamantyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811424
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
CID 112569917
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
CID 104996040
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105158554
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol (CID 115811630) is 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol is Cc1cc(CC(O)C(C)C2CC2)n(C)n1.
What is the InChIKey of 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol?
The InChIKey is CQADYLIWKPDLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-6-11(14(3)13-8)7-12(15)9(2)10-4-5-10/h6,9-10,12,15H,4-5,7H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol?
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 115811630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).